methyl 3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-[(4-bromo-2-chloro-phenyl)methyl]-2-methyl-benzothiophene-5-carboxylate CAS Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylate Traditional Name: 3-(4-bromo-2-chloro-benzyl)-2-methyl-benzothiophene-5-carboxylic acid methyl ester Formula: C18H14BrClO2S MolecularWeight: 409.72456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)C(=O)OC)CC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)C(=O)OC)CC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H14BrClO2S/c1-10-14(7-11-3-5-13(19)9-16(11)20)15-8-12(18(21)22-2)4-6-17(15)23-10/h3-6,8-9H,7H2,1-2H3